2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

C16H12FN3O3S2 — CID 22581380

IUPAC2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H12FN3O3S2/c17-12-3-5-13(6-4-12)25(22,23)10-15(21)20-16-19-14(9-24-16)11-2-1-7-18-8-11/h1-9H,10H2,(H,19,20,21)
InChIKeyRKWOTHRVTQMRHK-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22581380) has the molecular formula C16H12FN3O3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22581380
Molecular FormulaC16H12FN3O3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H12FN3O3S2/c17-12-3-5-13(6-4-12)25(22,23)10-15(21)20-16-19-14(9-24-16)11-2-1-7-18-8-11/h1-9H,10H2,(H,19,20,21)
InChIKeyRKWOTHRVTQMRHK-UHFFFAOYSA-N
XLogP2.76
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 22581380) is 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RKWOTHRVTQMRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S2/c17-12-3-5-13(6-4-12)25(22,23)10-15(21)20-16-19-14(9-24-16)11-2-1-7-18-8-11/h1-9H,10H2,(H,19,20,21).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 377.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22581380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).